SCHEMBL2332777

SCHEMBL2332777

CC(C)(C)OC(=O)NC1CCN(Cc2coc(C#N)c2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
CTSK P43235 2/20 0.37
FPR2 P25090 1/20 0.36
KCNA3 P22001 1/20 0.36
GAA P10253 1/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PGGT1B P53609 2/20 0.36
DRD2 P14416 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4D Q6B0I6 3/20 0.35
NSD2 O96028 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SRC P12931 2/20 0.35
NPY1R P25929 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2329420 0.82 FNTA (0.49) FPR2KCNA3FNTAFNTBPGGT1B
SCHEMBL2326541 0.81 FPR2 (0.39) F10F2PRSS1CTSKFPR2
SCHEMBL7539285 0.81 DRD2 (0.40) F10F2PRSS1CTSKFPR2
SCHEMBL7537265 0.81 DRD2 (0.40) F10F2PRSS1CTSKFPR2
SCHEMBL8040094 0.80 F2 (0.38) F10F2PRSS1CTSKFPR2
SCHEMBL2332156 0.80 FNTA (0.46) KCNA3FNTAFNTBPGGT1BDRD2
SCHEMBL2330001 0.80 F2 (0.38) F10F2PRSS1CTSKFPR2
SCHEMBL2332098 0.79 F2 (0.39) F10F2PRSS1CTSKFPR2
SCHEMBL2325196 0.78 F2 (0.40) F10F2PRSS1CTSKFPR2
SCHEMBL7927436 0.78 KMT2A (0.56) FPR2KCNA3KMT2AL3MBTL1SRC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 EP disclosed
EP-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 EP disclosed
US-5958918-A Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. 1999-09-28 US disclosed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 EP disclosed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO disclosed